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Macroscopic Fluid Simulations and Reactor Optimization

Molecular dynamics (MD) has proven to be one of the most useful tools for understanding your product at a larger (yet still very small) scale, in particular its interactions with different solvents, structures, and other environmental factors. We use pre-built and DFT-based custom potentials to build you thermodynamically accurate models that give you a look into the dynamics of your product.

• Fluid flow processes
• Reactor design and
• Thermodynamic properties
• Energy barriers
• Quantum-accurate characterization of materials